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Diethylmalonic acid, 4-chlorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-chlorophenyl tetradecyl ester
SpectraBase Compound ID 7NmX792925T
InChI InChI=1S/C27H43ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-31-25(29)27(5-2,6-3)26(30)32-24-20-18-23(28)19-21-24/h18-21H,4-17,22H2,1-3H3
InChIKey QMABVRNPTQKIND-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIdlGFpBNWz
Name Diethylmalonic acid, 4-chlorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-31-25(29)27(5-2,6-3)26(30)32-24-20-18-23(28)19-21-24/h18-21H,4-17,22H2,1-3H3
InChIKey QMABVRNPTQKIND-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)Cl)=O)CC